Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	5-hydroxytryptamine receptor 7
Species	Rattus norvegicus (Rat)
Gene	Htr7
Synonym	GPRFO 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled 5-HTx 5-HT7 receptor 5-HT7 5-HT1Y 5-HT-X 5-HT-7 Serotonin receptor 7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	448
Amino acid sequence	MMDVNSSGRPDLYGHLRSLILPEVGRGLQDLSPDGGAHPVVSSWMPHLLSGFLEVTASPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVQPESVISLNGVVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT
UniProt	P32305
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3223
IUPHAR	12
DrugBank	N/A

Ligand

Name	pindolol
Molecular formula	C14H20N2O2
IUPAC name	1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	248.326
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.8
Synonyms	AKOS015969756 Pindolol [USAN:INN:BAN:JAN] LB-46 Blocklin L Prestwick0_000090 MLS002548891 BSPBio_000020 Pynastin NCGC00015786-11 CCG-39223 SPBio_001959 D00513 SR-01000000027-2 (rs)-pindolol DL-LB 46 Tox21_500955 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol EINECS 236-867-9 1-(1H-indol-4-yloxy)-3-[(propan-2-yl)amino]propan-2-ol NCGC00024925-03 HMS1568A22 2-Propanol, 1-(4-indolyloxy)-3-(isopropylamino)- NSC757276 HMS3369E14 523P869 Pectobloc KBio2_001589 Betapindol Pindolol, European Pharmacopoeia (EP) Reference Standard LP00955 Blocklin-L (TN) Prestwick3_000090 NCGC00015786-06 Calvisken SBI-0050929.P004 NCGC00015786-16 Spectrum3_000547 (+-)-Pindolol DB00960 SR-01000000027-7 1-((1H-indol-4-yl)oxy)-3-(isopropylamino)propan-2-ol DSSTox_GSID_23476 Z3376 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol FT-0630406 1-[1H-INDOL-4-YLOXY]-3-[ISOPROPYLAMINO]-2-PROPANOL NCGC00024925-06 HMS2091P20 3-indol-4-yloxy-1-[(methylethyl)amino]propan-2-ol P-6820 HSDB 6539 AB00052072-11 Pinbetol KBio3_001693 Pindolol (JP15/USP/INN) L000006 Blockin L (TN) Pindololum MFCD00010530 BRD-A97701745-001-09-5 Prindolol (TN) NCGC00015786-09 Carvisken (TN) SMR000059120 CS-4473 Spectrum_001109 (1)-1-(1H-Indol-4-yloxy)-3-(isopropylamino)propan-2-ol DivK1c_000837 Tox21_110221 1-(1H-Indol-4-yloxy)-3-(isopropylamino)-2-propanol Durapindol 1-(1H-Indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol Glauco-Viskin 2-Propanol, 1-(1H-indol-4-yloxy)-3-(1-methylethyl)amino- NINDS_000837 HMS3262P12 5-21-03-00017 (Beilstein Handbook Reference) PDSP2_000759 JZQKKSLKJUAGIC-UHFFFAOYSA-N AC1L1J1N AN-18448 Pindolol [USAN:USP:INN:BAN:JAN] LB46 Blocklin L (TN) Prestwick1_000090 MolPort-001-792-503 BSPBio_002193 Pynastin (TN) NCGC00015786-13 CCRIS 9215 SPECTRUM1500488 (+-)-4-(2-hydroxy-3-(isopropylamino)propoxy)indole D0F2PO SR-01000000027-4 DL-Pindolol Visken 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-propan-2-ol EINECS 244-623-8 1-(4-Indolyloxy)-3-(isopropylamino)-2-propanol NCGC00024925-04 HMS1920H16 2-Propanol, 1-(indol-4-yloxy)-3-(isopropylamino)-, (+-)- Oprea1_770884 HMS3712A22 Pectobloc (TN) KBio2_004157 KBioGR_000958 Betapindol (TN) Pindolol, United States Pharmacopeia (USP) Reference Standard LS-122385 BPBio1_000022 Prestwick_397 NCGC00015786-07 Calvisken (TN) SC-25688 CHEMBL500 Spectrum4_000479 (+/-)-Pindolol-d7(iso-propyl-d7) Decreten ST50319990 1-(1h-indol-4-yloxy)-3-((1-methylethyl)amino)-2-propano DSSTox_RID_77043 [2-hydroxy-3-(1H-indol-4-yloxy)propyl](propan-2-yl)amine 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol((-)-Pindolol) Glauco-visken 13523-86-9 NCGC00024925-07 HMS2095A22 4-(2-Hydroxy-3-isopropylaminopropoxy)-indole PDSP1_000771 HY-B0982 AB00052072_12 Pinbetol (TN) Pindolol (JP17/USP/INN) LB 46 Blocklin Pindololum [INN-Latin] MLS000069496 BRN 1536506 Prinodolol NCGC00015786-10 CAS-13523-86-9 SPBio_001289 CTK8G2432 SR-01000000027 (R,S)-PINDOLOL DL-4-[2-Hydroxy-3-(isopropylamino)propoxy]indole Tox21_110221_1 1-(1H-Indol-4-yloxy)-3-(isopropylamino)-2-propanol # Durapindol (TN) 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol NCGC00015786-20 GTPL91 2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]- NSC-757276 HMS3267K17 PDSP2_000760 KBio1_000837 AC1Q1QC1 BDBM50019443 Pindolol, >=98% (TLC), powder Lopac0_000955 Blocklin-L Prestwick2_000090 NC00467 C07445 SAM002264631 NCGC00015786-14 CHEBI:8214 Spectrum2_001285 (+-)-lb46 SR-01000000027-5 1-((1-Methylethyl)amino)-3-(4-indolyloxy)-2-propanol DSSTox_CID_3476 Visken (TN) 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol EU-0100955 1-(Indol-4-yloxy)-3-(isopropylamino)-2-propanol NCGC00024925-05 HMS2089I21 21870-06-4 P 0778 HMS502J19 AB00052072 Pharmakon1600-01500488 KBio2_006725 KBioSS_001589 Blockin L PINDOLOL,(-) MCULE-7764948919 BRD-A97701745-001-05-3 Prindolol NCGC00015786-08 Carvisken SCHEMBL5219 CPD000059120 Spectrum5_001266 (.+/-.)-Pindolol Decreten (TN) SW196641-3 1-(1H-Indol-4-yloxy)-3-((1-methylethyl)amino)-2-propanol DTXSID8023476 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol(pindolol) Glauco-Visken (TN) 2-Propanol, 1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)- NCGC00261640-01 HMS3259I07 4-(3-(Isopropylamino)-2-hydroxypropoxy)indole PDSP1_000772 IDI1_000837 AB00052072_13 [ Show all ]
Inchi Key	JZQKKSLKJUAGIC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
PubChem CID	4828
ChEMBL	CHEMBL500
IUPHAR	91
BindingDB	50019443
DrugBank	DB00960
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID10051134	BindingDB
Ki	545.0 nM	PMID8398139	BindingDB
Ki	1000.0 nM	PMID8394362	BindingDB
Ki	2500.0 nM	PMID8397408	BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417